SCHEMBL2880951

SCHEMBL2880951

COc1cc(/C=C/C(=O)OCCCCO[N+](=O)[O-])ccc1O

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MET P08581 10/20 0.67
CA12 O43570 5/20 0.66
CA4 P22748 5/20 0.66
CA9 Q16790 5/20 0.66
CA1 P00915 2/20 0.66
CA2 P00918 2/20 0.66
MAOB P27338 1/20 0.63
CA6 P23280 3/20 0.61
CA5A P35218 3/20 0.61
CA7 P43166 3/20 0.61
CA14 Q9ULX7 3/20 0.61
CA5B Q9Y2D0 3/20 0.61
TTR P02766 1/20 0.61
HTR7 P34969 1/20 0.61
EPHX2 P34913 1/20 0.58
GAA P10253 1/20 0.57
MAPT P10636 1/20 0.57
APP P05067 1/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1319077 1.00 MET (0.67) METCA12CA4CA9CA1
Potassium Ion SCHEMBL6385906 0.99 MET (0.66) METCA12CA4CA9CA1
SCHEMBL13242536 0.99 MET (0.66) METCA12CA4CA9CA1
SCHEMBL13242531 0.99 MET (0.66) METCA12CA4CA9CA1
SCHEMBL6385902 0.99 MET (0.66) METCA12CA4CA9CA1
SCHEMBL13242532 0.98 MET (0.67) METCA12CA4CA9CA1
SCHEMBL2991870 0.94 CA12 (0.70) METCA12CA4CA9CA1
SCHEMBL2991875 0.94 CA12 (0.70) METCA12CA4CA9CA1
SCHEMBL1321817 0.93 MET (0.69) METCA12CA4CA9CA1
SCHEMBL13242533 0.93 MET (0.69) METCA12CA4CA9CA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179192-A1 USE OF NITRIC OXIDE RELEASING COMPOUNDS IN THE TREATMENT OF CHRONIC PAIN NICOX S.A. (FR) 2010-07-15 US claimed
EP-2167070-A1 USE OF NITRIC OXIDE RELEASING COMPOUNDS IN THE TREATMENT OF CHRONIC PAIN Nicox S.A. (FR) 2010-03-31 EP claimed
WO-2009007230-A1 USE OF NITRIC OXIDE RELEASING COMPOUNDS IN THE TREATMENT OF CHRONIC PAIN NICOX S.A. (FR) 2009-01-15 WO claimed
US-7812039-B2 analgesic drug for treating neuropathic pain is selected from gabapentine, norvaline, pregabaline, (S)3-isobutylGABA, arginine, thiocitrulline, agmantine, vigabatrin etc. and a NO donar drugs belonging to the classes of aspirin, ibuprofen, paracetamol, naproxen, diclofenac or flurbiprofen NICOX S.A. (FR) 2010-10-12 US disclosed
US-20100217028-A1 PROCESS FOR PREPARING NITROOXYALKYL SUBSTITUTED ESTERS OF CARBOXYLIC ACIDS, INTERMEDIATES USEFUL IN SAID PROCESS AND PREPARATION THEREOF NICOX S.A. (FR) 2010-08-26 US disclosed
US-7759392-B2 Pharmaceutical compounds NICOX S.A. (FR) 2010-07-20 US disclosed
US-20100179192-A1 USE OF NITRIC OXIDE RELEASING COMPOUNDS IN THE TREATMENT OF CHRONIC PAIN NICOX S.A. (FR) 2010-07-15 US disclosed
US-20100179192-A1 USE OF NITRIC OXIDE RELEASING COMPOUNDS IN THE TREATMENT OF CHRONIC PAIN NICOX S.A. (FR) 2010-07-15 US disclosed
US-7745496-B2 Process for preparing halogenoalkylnitrates NICOX S.A. (FR) 2010-06-29 US disclosed
US-7723382-B2 Process for preparing nitrooxyalkyl substituted esters of carboxylic acids, intermediates useful in said process and preparation thereof NICOX S.A. (FR) 2010-05-25 US disclosed
US-7696230-B2 Drugs for chronic pains NICOX S.A. (FR) 2010-04-13 US disclosed
EP-1814840-A1 PROCESS FOR PREPARING HALOGENOALKYLNITRATES NicOx S.A. (FR) 2007-08-08 EP disclosed
US-20070161576-A1 Drugs for chronic pains NICOX S.A. 2007-07-12 US disclosed
US-20070112194-A1 Process for preparing nitrooxyalkyl substituted esters of carboxylic acids, intermediates useful in said process and preparation thereof NICOX S.A. (FR) 2007-05-17 US disclosed
US-7199141-B2 Drugs for chronic pains NICOX S.A. (FR) 2007-04-03 US disclosed
US-7186753-B1 Pharmaceutical compounds NICOX S.A. (FR) 2007-03-06 US disclosed
WO-2006056535-A1 PROCESS FOR PREPARING HALOGENOALKYLNITRATES NICOX S.A. (FR) 2006-06-01 WO disclosed
EP-1537070-A1 PROCESS FOR PREPARING NITROOXYALKYL SUBSTITUTED ESTERS OF CARBOXYLIC ACIDS, INTERMEDIATES USEFUL IN SAID PROCESS AND PREPARATION THEREOF Nicox S.A. (FR) 2005-06-08 EP disclosed
US-20040171682-A1 Drugs for chronic pains NICOX S.A. (FR) 2004-09-02 US disclosed
WO-2004020385-A1 PROCESS FOR PREPARING NITROOXYALKYL SUBSTITUTED ESTERS OF CARBOXYLIC ACIDS, INTERMEDIATES USEFUL IN SAID PROCESS AND PREPARATION THEREOF NICOX S.A. (FR) 2004-03-11 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040171682-A1 Drugs for chronic pains OPRD1, OPRK1, OPRL1 MET 3745/4885CA12 2192/4885CA4 1108/4885
US-20070161576-A1 Drugs for chronic pains OPRD1, OPRL1, OPRK1 MET 3070/4885CA12 2157/4885CA4 937/4885
US-20100217028-A1 PROCESS FOR PREPARING NITROOXYALKYL SUBSTITUTED ESTERS OF CARBOXYLIC ACIDS, INTERMEDIATES USEFUL IN SAID PROCESS AND PREPARATION THEREOF CYP2A13, CYP3A43, POR MET 585/4885CA12 517/4885CA4 481/4885
US-20100179192-A1 USE OF NITRIC OXIDE RELEASING COMPOUNDS IN THE TREATMENT OF CHRONIC PAIN NOS1, NOS2, NOS3 MET 4453/4885CA12 3464/4885CA4 2043/4885
US-20070112194-A1 Process for preparing nitrooxyalkyl substituted esters of carboxylic acids, intermediates useful in said process and preparation thereof CYP2A13, CYP3A43, POR MET 585/4885CA12 517/4885CA4 481/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.